SCHEMBL17685474

SCHEMBL17685474

Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1OC(=O)NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.41
BACE1 P56817 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
NPC1 O15118 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17685471 0.85 P2RX7 (0.66) P2RX7KDM4ENPC1
SCHEMBL306445 0.85 P2RX7 (0.49) P2RX7BACE1KDM4E
SCHEMBL17685464 0.82 P2RX7 (0.50) P2RX7KDM4ENPC1
SCHEMBL307176 0.79 P2RX7 (0.55) P2RX7
SCHEMBL306523 0.79 P2RX7 (0.74) P2RX7KDM4E
SCHEMBL27776446 0.74 P2RX7 (0.66) P2RX7KDM4E
SCHEMBL306906 0.74 P2RX7 (0.66) P2RX7KDM4E
SCHEMBL307383 0.70 P2RX7 (0.69) P2RX7
SCHEMBL17690541 0.70 P2RX7 (0.61) P2RX7
SCHEMBL14407705 0.69 P2RX7 (0.76) P2RX7POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2124562-B1 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF SECOND GENOME INC (US) 2016-04-20 EP claimed